(1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol

C15H24O2 — CID 127042784

IUPAC(1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol
SMILESCC(C)C1=CC[C@H](CO)[C@@]12C=C[C@](C)(O)CC2
InChIInChI=1S/C15H24O2/c1-11(2)13-5-4-12(10-16)15(13)8-6-14(3,17)7-9-15/h5-6,8,11-12,16-17H,4,7,9-10H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyPFDNKLACQKUSDH-SNPRPXQTSA-N
MW236.35 g/mol
LogP2.67
Rot. Bonds2

About (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol

(1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol (PubChem CID 127042784) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol.

Molecular Properties

Compound Name(1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol
PubChem CID127042784
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol
SMILESCC(C)C1=CC[C@H](CO)[C@@]12C=C[C@](C)(O)CC2
InChIInChI=1S/C15H24O2/c1-11(2)13-5-4-12(10-16)15(13)8-6-14(3,17)7-9-15/h5-6,8,11-12,16-17H,4,7,9-10H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyPFDNKLACQKUSDH-SNPRPXQTSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol?
The IUPAC name of (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol (CID 127042784) is (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol.
What is the SMILES notation for (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol?
The canonical SMILES for (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol is CC(C)C1=CC[C@H](CO)[C@@]12C=C[C@](C)(O)CC2.
What is the InChIKey of (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol?
The InChIKey is PFDNKLACQKUSDH-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)13-5-4-12(10-16)15(13)8-6-14(3,17)7-9-15/h5-6,8,11-12,16-17H,4,7,9-10H2,1-3H3/t12-,14+,15+/m1/s1.
What are the key properties of (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol?
(1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol has a molecular weight of 236.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol is sourced from PubChem (CID 127042784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).