(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane

C56H104 — CID 161061988

IUPAC(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
SMILESCC(C)[C@@H]1CCC(C)C2(CCCC2)C1.CC(C)[C@@H]1CC[C@@H](C)C2(CCCC2)C1.CC(C)[C@H]1CCC(C)C2(CCCC2)C1.CC(C)[C@H]1CC[C@H](C)C2(CCCC2)C1
InChIInChI=1S/4C14H26/c4*1-11(2)13-7-6-12(3)14(10-13)8-4-5-9-14/h4*11-13H,4-10H2,1-3H3/t2*12?,13-;2*12-,13-/m1010/s1
InChIKeyUDNDSYBULXIIMO-MVVUKFOJSA-N
MW777.45 g/mol
LogP18.56
Rot. Bonds4

About (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane

(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane (PubChem CID 161061988) has the molecular formula C56H104 and a molecular weight of 777.45 g/mol. Its IUPAC name is (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane.

Molecular Properties

Compound Name(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
PubChem CID161061988
Molecular FormulaC56H104
Molecular Weight777.45 g/mol
Exact Mass776.81
IUPAC Name(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
SMILESCC(C)[C@@H]1CCC(C)C2(CCCC2)C1.CC(C)[C@@H]1CC[C@@H](C)C2(CCCC2)C1.CC(C)[C@H]1CCC(C)C2(CCCC2)C1.CC(C)[C@H]1CC[C@H](C)C2(CCCC2)C1
InChIInChI=1S/4C14H26/c4*1-11(2)13-7-6-12(3)14(10-13)8-4-5-9-14/h4*11-13H,4-10H2,1-3H3/t2*12?,13-;2*12-,13-/m1010/s1
InChIKeyUDNDSYBULXIIMO-MVVUKFOJSA-N
XLogP18.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.45
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane with MolForge

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Related Compounds

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CID 148967518
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CID 57473010
(9R)-9-methylspiro[3.5]nonane
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CID 134928399
propan-2-ylcyclopropane;hydroiodide
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CID 10014531
2-ethyl-6-propan-2-ylspiro[2.4]heptane
CID 123260811
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574
9-propan-2-ylspiro[3.5]nonane
CID 140652255

Frequently Asked Questions

What is the IUPAC name of (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane?
The IUPAC name of (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane (CID 161061988) is (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane.
What is the SMILES notation for (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane?
The canonical SMILES for (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane is CC(C)[C@@H]1CCC(C)C2(CCCC2)C1.CC(C)[C@@H]1CC[C@@H](C)C2(CCCC2)C1.CC(C)[C@H]1CCC(C)C2(CCCC2)C1.CC(C)[C@H]1CC[C@H](C)C2(CCCC2)C1.
What is the InChIKey of (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane?
The InChIKey is UDNDSYBULXIIMO-MVVUKFOJSA-N. The full InChI is InChI=1S/4C14H26/c4*1-11(2)13-7-6-12(3)14(10-13)8-4-5-9-14/h4*11-13H,4-10H2,1-3H3/t2*12?,13-;2*12-,13-/m1010/s1.
What are the key properties of (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane?
(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane has a molecular weight of 777.45 g/mol, XLogP of 18.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane is sourced from PubChem (CID 161061988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).