(3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene

C15H26 — CID 163106339

IUPAC(3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene
SMILESCC1=CCC[C@@H](C)[C@@]12CC[C@H](C(C)C)C2
InChIInChI=1S/C15H26/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15-/m1/s1
InChIKeyVRDGFDINTZFVNN-QLFBSQMISA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds1

About (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene

(3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene (PubChem CID 163106339) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name(3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene
PubChem CID163106339
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene
SMILESCC1=CCC[C@@H](C)[C@@]12CC[C@H](C(C)C)C2
InChIInChI=1S/C15H26/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15-/m1/s1
InChIKeyVRDGFDINTZFVNN-QLFBSQMISA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene?
The IUPAC name of (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene (CID 163106339) is (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene.
What is the SMILES notation for (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene?
The canonical SMILES for (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene is CC1=CCC[C@@H](C)[C@@]12CC[C@H](C(C)C)C2.
What is the InChIKey of (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene?
The InChIKey is VRDGFDINTZFVNN-QLFBSQMISA-N. The full InChI is InChI=1S/C15H26/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15-/m1/s1.
What are the key properties of (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene?
(3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene has a molecular weight of 206.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene is sourced from PubChem (CID 163106339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).