ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol

C16H28O — CID 145193397

IUPACethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol
SMILESC=C/C=C1C(=C/C)\C(C)(C)C(C)CC\1O.CC
InChIInChI=1S/C14H22O.C2H6/c1-6-8-11-12(7-2)14(4,5)10(3)9-13(11)15;1-2/h6-8,10,13,15H,1,9H2,2-5H3;1-2H3/b11-8+,12-7+;
InChIKeyKIZCFEWJROGZPB-OTLGFFKHSA-N
MW236.40 g/mol
LogP4.50
Rot. Bonds1

About ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol

ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol (PubChem CID 145193397) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol.

Molecular Properties

Compound Nameethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol
PubChem CID145193397
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Nameethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol
SMILESC=C/C=C1C(=C/C)\C(C)(C)C(C)CC\1O.CC
InChIInChI=1S/C14H22O.C2H6/c1-6-8-11-12(7-2)14(4,5)10(3)9-13(11)15;1-2/h6-8,10,13,15H,1,9H2,2-5H3;1-2H3/b11-8+,12-7+;
InChIKeyKIZCFEWJROGZPB-OTLGFFKHSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol?
The IUPAC name of ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol (CID 145193397) is ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol.
What is the SMILES notation for ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol?
The canonical SMILES for ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol is C=C/C=C1C(=C/C)\C(C)(C)C(C)CC\1O.CC.
What is the InChIKey of ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol?
The InChIKey is KIZCFEWJROGZPB-OTLGFFKHSA-N. The full InChI is InChI=1S/C14H22O.C2H6/c1-6-8-11-12(7-2)14(4,5)10(3)9-13(11)15;1-2/h6-8,10,13,15H,1,9H2,2-5H3;1-2H3/b11-8+,12-7+;.
What are the key properties of ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol?
ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol is sourced from PubChem (CID 145193397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).