ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol

C16H32O — CID 144746862

IUPACethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol
SMILESC/C=C/C1=C(C)CC(O)CC1(C)C.CC.CC
InChIInChI=1S/C12H20O.2C2H6/c1-5-6-11-9(2)7-10(13)8-12(11,3)4;2*1-2/h5-6,10,13H,7-8H2,1-4H3;2*1-2H3/b6-5+;;
InChIKeyJCZDMIYVBJZOGL-TXOOBNKBSA-N
MW240.43 g/mol
LogP5.11
Rot. Bonds1

About ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol

ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol (PubChem CID 144746862) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Nameethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol
PubChem CID144746862
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Nameethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol
SMILESC/C=C/C1=C(C)CC(O)CC1(C)C.CC.CC
InChIInChI=1S/C12H20O.2C2H6/c1-5-6-11-9(2)7-10(13)8-12(11,3)4;2*1-2/h5-6,10,13H,7-8H2,1-4H3;2*1-2H3/b6-5+;;
InChIKeyJCZDMIYVBJZOGL-TXOOBNKBSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-but-1-en-3-ynyl-3,5,5-trimethylcyclohex-3-en-1-ol
CID 57372420
(1R)-4-[(1E,3Z,5E,7Z,9E,11Z,13E,15Z,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 21159705
4-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol
CID 155908461
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19Z,21Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 101480823
ethene;4-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 157488315
6-hydroxy-2,4,4-trimethyl-3-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
CID 143126972
(2E,4E,6E,8Z)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal
CID 124934186
(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 122174101
13-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
CID 72745545
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,4,6,6-tetramethylcyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
CID 58776156
(1R)-4-(3-hydroxypenta-1,2,4-trienyl)-3,5,5-trimethylcyclohex-3-en-1-ol
CID 88614038
4-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 131751907

Frequently Asked Questions

What is the IUPAC name of ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol?
The IUPAC name of ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol (CID 144746862) is ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol.
What is the SMILES notation for ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol?
The canonical SMILES for ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol is C/C=C/C1=C(C)CC(O)CC1(C)C.CC.CC.
What is the InChIKey of ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol?
The InChIKey is JCZDMIYVBJZOGL-TXOOBNKBSA-N. The full InChI is InChI=1S/C12H20O.2C2H6/c1-5-6-11-9(2)7-10(13)8-12(11,3)4;2*1-2/h5-6,10,13H,7-8H2,1-4H3;2*1-2H3/b6-5+;;.
What are the key properties of ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol?
ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol has a molecular weight of 240.43 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,5-trimethyl-4-[(E)-prop-1-enyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 144746862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).