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

C14H22O — CID 5370028

IUPAC(4Z)-4-(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/b13-11+
InChIKeyMCGCKEDQRQRYTC-ACCUITESSA-N
MW206.33 g/mol
LogP3.62
Rot. Bonds2

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

(4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol (PubChem CID 5370028) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol.

Molecular Properties

Compound Name(4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol
PubChem CID5370028
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(4Z)-4-(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/b13-11+
InChIKeyMCGCKEDQRQRYTC-ACCUITESSA-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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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
The IUPAC name of (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol (CID 5370028) is (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol.
What is the SMILES notation for (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
The canonical SMILES for (4Z)-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 (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
The InChIKey is MCGCKEDQRQRYTC-ACCUITESSA-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/b13-11+.
What are the key properties of (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol?
(4Z)-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 (4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-ol is sourced from PubChem (CID 5370028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).