(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol

C15H26O — CID 177479202

IUPAC(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol
SMILESCC(C)[C@H]1[C@H]2[C@@H]3CCC(C)[C@@H]2[C@]3(C)C[C@H]1O
InChIInChI=1S/C15H26O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h8-14,16H,5-7H2,1-4H3/t9?,10-,11+,12+,13+,14-,15+/m0/s1
InChIKeyQULDBKHTWZIUJN-MANIPBSLSA-N
MW222.37 g/mol
LogP3.32
Rot. Bonds1

About (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol

(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol (PubChem CID 177479202) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol.

Molecular Properties

Compound Name(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol
PubChem CID177479202
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol
SMILESCC(C)[C@H]1[C@H]2[C@@H]3CCC(C)[C@@H]2[C@]3(C)C[C@H]1O
InChIInChI=1S/C15H26O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h8-14,16H,5-7H2,1-4H3/t9?,10-,11+,12+,13+,14-,15+/m0/s1
InChIKeyQULDBKHTWZIUJN-MANIPBSLSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol with MolForge

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Related Compounds

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CID 132579821
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CID 21140311
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CID 177439801
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2,3,5-trimethyl-4-propan-2-ylcyclohexan-1-ol
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1-methyl-4-propan-2-yl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
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(1S,3aR,5aR,5bS,7aR,9S,10S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,10-diol
CID 125036143

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol?
The IUPAC name of (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol (CID 177479202) is (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol.
What is the SMILES notation for (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol?
The canonical SMILES for (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol is CC(C)[C@H]1[C@H]2[C@@H]3CCC(C)[C@@H]2[C@]3(C)C[C@H]1O.
What is the InChIKey of (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol?
The InChIKey is QULDBKHTWZIUJN-MANIPBSLSA-N. The full InChI is InChI=1S/C15H26O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h8-14,16H,5-7H2,1-4H3/t9?,10-,11+,12+,13+,14-,15+/m0/s1.
What are the key properties of (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol?
(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol has a molecular weight of 222.37 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol is sourced from PubChem (CID 177479202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).