(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol

C18H28O — CID 163869940

IUPAC(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
SMILESCC1(O)CC2CC3CCC4CC(CCC5CC51)C4C32
InChIInChI=1S/C18H28O/c1-18(19)9-14-7-13-5-4-12-6-11(16(12)17(13)14)3-2-10-8-15(10)18/h10-17,19H,2-9H2,1H3
InChIKeyPJXTWYPKGXIJLD-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.86
Rot. Bonds

About (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol

(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol (PubChem CID 163869940) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol.

Molecular Properties

Compound Name(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
PubChem CID163869940
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
SMILESCC1(O)CC2CC3CCC4CC(CCC5CC51)C4C32
InChIInChI=1S/C18H28O/c1-18(19)9-14-7-13-5-4-12-6-11(16(12)17(13)14)3-2-10-8-15(10)18/h10-17,19H,2-9H2,1H3
InChIKeyPJXTWYPKGXIJLD-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol with MolForge

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Related Compounds

(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane
CID 163588261
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 153180704
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol
CID 10011966
(4S)-4-methyltricyclo[4.3.1.03,8]decan-4-ol
CID 135037653
3-methyl-1-(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)but-3-en-2-one
CID 163619518
acetaldehyde;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 144931340
(1S,2R,3S,5R,6S,7R)-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane
CID 134980447
(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol
CID 23260997

Frequently Asked Questions

What is the IUPAC name of (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol?
The IUPAC name of (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol (CID 163869940) is (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol.
What is the SMILES notation for (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol?
The canonical SMILES for (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol is CC1(O)CC2CC3CCC4CC(CCC5CC51)C4C32.
What is the InChIKey of (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol?
The InChIKey is PJXTWYPKGXIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-18(19)9-14-7-13-5-4-12-6-11(16(12)17(13)14)3-2-10-8-15(10)18/h10-17,19H,2-9H2,1H3.
What are the key properties of (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol?
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol has a molecular weight of 260.42 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol is sourced from PubChem (CID 163869940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).