2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol

C16H28O — CID 114228056

IUPAC2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(C2/C=C\CCCCC2)C1
InChIInChI=1S/C16H28O/c1-2-13-10-11-16(17)15(12-13)14-8-6-4-3-5-7-9-14/h6,8,13-17H,2-5,7,9-12H2,1H3/b8-6-
InChIKeyNVEVMWLMYZUXHM-VURMDHGXSA-N
MW236.40 g/mol
LogP4.31
Rot. Bonds2

About 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol

2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol (PubChem CID 114228056) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol
PubChem CID114228056
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(C2/C=C\CCCCC2)C1
InChIInChI=1S/C16H28O/c1-2-13-10-11-16(17)15(12-13)14-8-6-4-3-5-7-9-14/h6,8,13-17H,2-5,7,9-12H2,1H3/b8-6-
InChIKeyNVEVMWLMYZUXHM-VURMDHGXSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol (CID 114228056) is 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(C2/C=C\CCCCC2)C1.
What is the InChIKey of 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol?
The InChIKey is NVEVMWLMYZUXHM-VURMDHGXSA-N. The full InChI is InChI=1S/C16H28O/c1-2-13-10-11-16(17)15(12-13)14-8-6-4-3-5-7-9-14/h6,8,13-17H,2-5,7,9-12H2,1H3/b8-6-.
What are the key properties of 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol?
2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-cyclooct-2-en-1-yl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 114228056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).