1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol

C17H29NO — CID 90181939

IUPAC1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol
SMILESC=C/C=C(\C=C/C)C(CN(C)C)C1(O)CCCCC1
InChIInChI=1S/C17H29NO/c1-5-10-15(11-6-2)16(14-18(3)4)17(19)12-8-7-9-13-17/h5-6,10-11,16,19H,1,7-9,12-14H2,2-4H3/b11-6-,15-10+
InChIKeyXOTJJHFLBYTCMK-BQBRZILWSA-N
MW263.43 g/mol
LogP3.55
Rot. Bonds6

About 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol

1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol (PubChem CID 90181939) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol
PubChem CID90181939
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol
SMILESC=C/C=C(\C=C/C)C(CN(C)C)C1(O)CCCCC1
InChIInChI=1S/C17H29NO/c1-5-10-15(11-6-2)16(14-18(3)4)17(19)12-8-7-9-13-17/h5-6,10-11,16,19H,1,7-9,12-14H2,2-4H3/b11-6-,15-10+
InChIKeyXOTJJHFLBYTCMK-BQBRZILWSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol (CID 90181939) is 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol is C=C/C=C(\C=C/C)C(CN(C)C)C1(O)CCCCC1.
What is the InChIKey of 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol?
The InChIKey is XOTJJHFLBYTCMK-BQBRZILWSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-10-15(11-6-2)16(14-18(3)4)17(19)12-8-7-9-13-17/h5-6,10-11,16,19H,1,7-9,12-14H2,2-4H3/b11-6-,15-10+.
What are the key properties of 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol?
1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 90181939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).