4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol

C14H22O — CID 572425

IUPAC4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol
SMILESC=C1C=CCC(C)(C)C1=C(C)CC(C)O
InChIInChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h6-7,12,15H,1,8-9H2,2-5H3
InChIKeyMCGCKEDQRQRYTC-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.62
Rot. Bonds2

About 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol

4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol (PubChem CID 572425) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol.

Molecular Properties

Compound Name4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol
PubChem CID572425
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol
SMILESC=C1C=CCC(C)(C)C1=C(C)CC(C)O
InChIInChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h6-7,12,15H,1,8-9H2,2-5H3
InChIKeyMCGCKEDQRQRYTC-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cryptoxanthin
CID 5281235
Dehydrodihydroionol
CID 62126
Rubixanthin
CID 5281252
Ebanol
CID 6437266
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 15984303
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103
Cryptoxanthin, (+/-)-
CID 6384256
(3R)-3',4'-Didehydro-beta,psi-carotene-3-ol
CID 89049130
cis-Rubixanthin
CID 6384268
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 109264
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
CID 174409
2-Ethyl-2-prenyl-3-hexenol
CID 174410

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
The IUPAC name of 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol (CID 572425) is 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol.
What is the SMILES notation for 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
The canonical SMILES for 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol is C=C1C=CCC(C)(C)C1=C(C)CC(C)O.
What is the InChIKey of 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
The InChIKey is MCGCKEDQRQRYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h6-7,12,15H,1,8-9H2,2-5H3.
What are the key properties of 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol is sourced from PubChem (CID 572425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).