CID 163046763

C26H40O2 — CID 163046763

IUPAC—
SMILESC=C1CC2(CCC3(CCCC3CO)C2)C2OC23CCCC(C3)C2C1CC2(C)C
InChIInChI=1S/C26H40O2/c1-17-12-25(11-10-24(16-25)8-5-7-19(24)15-27)22-26(28-22)9-4-6-18(13-26)21-20(17)14-23(21,2)3/h18-22,27H,1,4-16H2,2-3H3
InChIKeyYEMKOKVPDACXID-UHFFFAOYSA-N
MW384.60 g/mol
LogP5.89
Rot. Bonds1

About CID 163046763

CID 163046763 (PubChem CID 163046763) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol.

Molecular Properties

Compound NameCID 163046763
PubChem CID163046763
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name—
SMILESC=C1CC2(CCC3(CCCC3CO)C2)C2OC23CCCC(C3)C2C1CC2(C)C
InChIInChI=1S/C26H40O2/c1-17-12-25(11-10-24(16-25)8-5-7-19(24)15-27)22-26(28-22)9-4-6-18(13-26)21-20(17)14-23(21,2)3/h18-22,27H,1,4-16H2,2-3H3
InChIKeyYEMKOKVPDACXID-UHFFFAOYSA-N
XLogP5.89
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(1R,1'S,3S,4S,7S,9S,10R,11S)-9-cyclohexyl-9-methyl-6-methylidenespiro[2-oxatetracyclo[9.3.1.01,3.07,10]pentadecane-4,3'-cyclopentane]-1'-yl]ethyl]cyclohexan-1-ol
CID 163101161
spiro[2.4]heptan-7-ylmethanol
CID 149455832
CID 162858847
CID 162858847
8-oxaspiro[4.5]decan-4-ylmethanol
CID 126975254
3-[(1R,1'S,4R,6S,7S,10S)-4,12,12-trimethyl-9-methylidenespiro[5-oxatricyclo[8.2.0.04,6]dodecane-7,3'-cyclopentane]-1'-yl]propan-1-ol
CID 162828346
(1R,2R,6S,7R,8S,11S,12S,14R)-6,14-dimethyl-9-methylidene-13-oxapentacyclo[9.3.2.16,8.02,7.012,14]heptadecane
CID 163073662
[(2R)-spiro[2.3]hexan-2-yl]methanol
CID 129372224
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
CID 17039395
(3,3-dimethylcyclohexyl)methanol
CID 14034040
3,3-dimethyl-9-propyltricyclo[7.2.1.02,7]dodecan-8-one
CID 123521676

Frequently Asked Questions

What is the IUPAC name of CID 163046763?
The IUPAC name of CID 163046763 (CID 163046763) is not available.
What is the SMILES notation for CID 163046763?
The canonical SMILES for CID 163046763 is C=C1CC2(CCC3(CCCC3CO)C2)C2OC23CCCC(C3)C2C1CC2(C)C.
What is the InChIKey of CID 163046763?
The InChIKey is YEMKOKVPDACXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2/c1-17-12-25(11-10-24(16-25)8-5-7-19(24)15-27)22-26(28-22)9-4-6-18(13-26)21-20(17)14-23(21,2)3/h18-22,27H,1,4-16H2,2-3H3.
What are the key properties of CID 163046763?
CID 163046763 has a molecular weight of 384.60 g/mol, XLogP of 5.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163046763 is sourced from PubChem (CID 163046763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).