(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol

C8H11IO — CID 11791593

IUPAC(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\I)CCCC1O
InChIInChI=1S/C8H11IO/c1-6-7(5-9)3-2-4-8(6)10/h5,8,10H,1-4H2/b7-5-
InChIKeyXMOPUXIQJFZVMA-ALCCZGGFSA-N
MW250.08 g/mol
LogP2.41
Rot. Bonds

About (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol

(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol (PubChem CID 11791593) has the molecular formula C8H11IO and a molecular weight of 250.08 g/mol. Its IUPAC name is (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol
PubChem CID11791593
Molecular FormulaC8H11IO
Molecular Weight250.08 g/mol
Exact Mass249.99
IUPAC Name(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\I)CCCC1O
InChIInChI=1S/C8H11IO/c1-6-7(5-9)3-2-4-8(6)10/h5,8,10H,1-4H2/b7-5-
InChIKeyXMOPUXIQJFZVMA-ALCCZGGFSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol?
The IUPAC name of (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol (CID 11791593) is (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol.
What is the SMILES notation for (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol?
The canonical SMILES for (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol is C=C1/C(=C\I)CCCC1O.
What is the InChIKey of (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol?
The InChIKey is XMOPUXIQJFZVMA-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H11IO/c1-6-7(5-9)3-2-4-8(6)10/h5,8,10H,1-4H2/b7-5-.
What are the key properties of (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol?
(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol has a molecular weight of 250.08 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 11791593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).