(1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol

C15H24O — CID 162863171

IUPAC(1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
SMILESC=C1CC/C=C(\C)CC[C@@H]2[C@@H]1[C@H](O)C2(C)C
InChIInChI=1S/C15H24O/c1-10-6-5-7-11(2)13-12(9-8-10)15(3,4)14(13)16/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6+/t12-,13-,14+/m1/s1
InChIKeyDNWWLTIHFSGXHB-FEMBQWQASA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds

About (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol

(1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol (PubChem CID 162863171) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol.

Molecular Properties

Compound Name(1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
PubChem CID162863171
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
SMILESC=C1CC/C=C(\C)CC[C@@H]2[C@@H]1[C@H](O)C2(C)C
InChIInChI=1S/C15H24O/c1-10-6-5-7-11(2)13-12(9-8-10)15(3,4)14(13)16/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6+/t12-,13-,14+/m1/s1
InChIKeyDNWWLTIHFSGXHB-FEMBQWQASA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
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 (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol?
The IUPAC name of (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol (CID 162863171) is (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol.
What is the SMILES notation for (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol?
The canonical SMILES for (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol is C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1[C@H](O)C2(C)C.
What is the InChIKey of (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol?
The InChIKey is DNWWLTIHFSGXHB-FEMBQWQASA-N. The full InChI is InChI=1S/C15H24O/c1-10-6-5-7-11(2)13-12(9-8-10)15(3,4)14(13)16/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6+/t12-,13-,14+/m1/s1.
What are the key properties of (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol?
(1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol is sourced from PubChem (CID 162863171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).