6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol

C25H44O2 — CID 174923179

IUPAC6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
SMILESC=C1C(O)CC2CC1C2(C)C.CC(C)=CCCC(C)=CCCC(C)CCO
InChIInChI=1S/C15H28O.C10H16O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-6-8-4-7(5-9(6)11)10(8,2)3/h7,9,15-16H,5-6,8,10-12H2,1-4H3;7-9,11H,1,4-5H2,2-3H3
InChIKeyYAYJRZJFMURIBH-UHFFFAOYSA-N
MW376.63 g/mol
LogP6.45
Rot. Bonds8

About 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol (PubChem CID 174923179) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol.

Molecular Properties

Compound Name6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
PubChem CID174923179
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
SMILESC=C1C(O)CC2CC1C2(C)C.CC(C)=CCCC(C)=CCCC(C)CCO
InChIInChI=1S/C15H28O.C10H16O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-6-8-4-7(5-9(6)11)10(8,2)3/h7,9,15-16H,5-6,8,10-12H2,1-4H3;7-9,11H,1,4-5H2,2-3H3
InChIKeyYAYJRZJFMURIBH-UHFFFAOYSA-N
XLogP6.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol with MolForge

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Related Compounds

3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
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CID 174923071
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CID 156871638
methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 162032008
(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
CID 54034221

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
The IUPAC name of 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol (CID 174923179) is 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol.
What is the SMILES notation for 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
The canonical SMILES for 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol is C=C1C(O)CC2CC1C2(C)C.CC(C)=CCCC(C)=CCCC(C)CCO.
What is the InChIKey of 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
The InChIKey is YAYJRZJFMURIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O.C10H16O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-6-8-4-7(5-9(6)11)10(8,2)3/h7,9,15-16H,5-6,8,10-12H2,1-4H3;7-9,11H,1,4-5H2,2-3H3.
What are the key properties of 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol has a molecular weight of 376.63 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol is sourced from PubChem (CID 174923179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).