(3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol

C15H24O — CID 50909827

IUPAC(3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)C(C)=C[C@@H](O)C[C@H]2C
InChIInChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/t12-,13-,14-,15-/m1/s1
InChIKeyQRPWLSKPROEDAH-KBUPBQIOSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol

(3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol (PubChem CID 50909827) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol.

Molecular Properties

Compound Name(3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol
PubChem CID50909827
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)C(C)=C[C@@H](O)C[C@H]2C
InChIInChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/t12-,13-,14-,15-/m1/s1
InChIKeyQRPWLSKPROEDAH-KBUPBQIOSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol?
The IUPAC name of (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol (CID 50909827) is (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol.
What is the SMILES notation for (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol?
The canonical SMILES for (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol is C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=C[C@@H](O)C[C@H]2C.
What is the InChIKey of (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol?
The InChIKey is QRPWLSKPROEDAH-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol?
(3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R,8S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol is sourced from PubChem (CID 50909827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).