(1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol

C20H32O — CID 118944899

IUPAC(1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol
SMILESC=C1[C@H](O)CC[C@@]2(C)CCC3=C(C)CC[C@@H](C[C@H]12)C3(C)C
InChIInChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18+,20+/m0/s1
InChIKeyQHDGSWAXTYWVOP-ZCDKGFTFSA-N
MW288.48 g/mol
LogP5.26
Rot. Bonds

About (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol

(1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol (PubChem CID 118944899) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol.

Molecular Properties

Compound Name(1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol
PubChem CID118944899
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol
SMILESC=C1[C@H](O)CC[C@@]2(C)CCC3=C(C)CC[C@@H](C[C@H]12)C3(C)C
InChIInChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18+,20+/m0/s1
InChIKeyQHDGSWAXTYWVOP-ZCDKGFTFSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.26
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 (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol?
The IUPAC name of (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol (CID 118944899) is (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol.
What is the SMILES notation for (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol?
The canonical SMILES for (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol is C=C1[C@H](O)CC[C@@]2(C)CCC3=C(C)CC[C@@H](C[C@H]12)C3(C)C.
What is the InChIKey of (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol?
The InChIKey is QHDGSWAXTYWVOP-ZCDKGFTFSA-N. The full InChI is InChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18+,20+/m0/s1.
What are the key properties of (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol?
(1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol has a molecular weight of 288.48 g/mol, XLogP of 5.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol is sourced from PubChem (CID 118944899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).