1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol

C15H24O — CID 569213

IUPAC1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol
SMILESC=C(C)C(=C)C=C1C(C)(C)CCCC1(C)O
InChIInChI=1S/C15H24O/c1-11(2)12(3)10-13-14(4,5)8-7-9-15(13,6)16/h10,16H,1,3,7-9H2,2,4-6H3
InChIKeyHVMARISYRFXAKH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds2

About 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol

1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol (PubChem CID 569213) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol
PubChem CID569213
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol
SMILESC=C(C)C(=C)C=C1C(C)(C)CCCC1(C)O
InChIInChI=1S/C15H24O/c1-11(2)12(3)10-13-14(4,5)8-7-9-15(13,6)16/h10,16H,1,3,7-9H2,2,4-6H3
InChIKeyHVMARISYRFXAKH-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol?
The IUPAC name of 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol (CID 569213) is 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol is C=C(C)C(=C)C=C1C(C)(C)CCCC1(C)O.
What is the InChIKey of 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol?
The InChIKey is HVMARISYRFXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)12(3)10-13-14(4,5)8-7-9-15(13,6)16/h10,16H,1,3,7-9H2,2,4-6H3.
What are the key properties of 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol?
1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(3-methyl-2-methylidenebut-3-enylidene)cyclohexan-1-ol is sourced from PubChem (CID 569213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).