(1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol

C25H40O — CID 6480209

IUPAC(1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@H]4[C@H](/C(C)=C\C[C@H]3[C@H]12)[C@H](O)C[C@@H]4C
InChIInChI=1S/C25H40O/c1-15(2)18-9-10-24(5)11-12-25(6)14-19-17(4)13-21(26)22(19)16(3)7-8-20(25)23(18)24/h7,17-23,26H,1,8-14H2,2-6H3/b16-7-/t17-,18+,19-,20-,21+,22-,23-,24-,25+/m0/s1
InChIKeySASNKCWSBOFUJF-QKWCIUSQSA-N
MW356.59 g/mol
LogP6.38
Rot. Bonds1

About (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol

(1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol (PubChem CID 6480209) has the molecular formula C25H40O and a molecular weight of 356.59 g/mol. Its IUPAC name is (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol.

Molecular Properties

Compound Name(1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol
PubChem CID6480209
Molecular FormulaC25H40O
Molecular Weight356.59 g/mol
Exact Mass356.31
IUPAC Name(1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@H]4[C@H](/C(C)=C\C[C@H]3[C@H]12)[C@H](O)C[C@@H]4C
InChIInChI=1S/C25H40O/c1-15(2)18-9-10-24(5)11-12-25(6)14-19-17(4)13-21(26)22(19)16(3)7-8-20(25)23(18)24/h7,17-23,26H,1,8-14H2,2-6H3/b16-7-/t17-,18+,19-,20-,21+,22-,23-,24-,25+/m0/s1
InChIKeySASNKCWSBOFUJF-QKWCIUSQSA-N
XLogP6.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol?
The IUPAC name of (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol (CID 6480209) is (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol.
What is the SMILES notation for (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol?
The canonical SMILES for (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol is C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@H]4[C@H](/C(C)=C\C[C@H]3[C@H]12)[C@H](O)C[C@@H]4C.
What is the InChIKey of (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol?
The InChIKey is SASNKCWSBOFUJF-QKWCIUSQSA-N. The full InChI is InChI=1S/C25H40O/c1-15(2)18-9-10-24(5)11-12-25(6)14-19-17(4)13-21(26)22(19)16(3)7-8-20(25)23(18)24/h7,17-23,26H,1,8-14H2,2-6H3/b16-7-/t17-,18+,19-,20-,21+,22-,23-,24-,25+/m0/s1.
What are the key properties of (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol?
(1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol has a molecular weight of 356.59 g/mol, XLogP of 6.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,6R,7R,8Z,11S,12S,13S,16S)-1,4,8,16-tetramethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol is sourced from PubChem (CID 6480209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).