1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane

C17H32O — CID 140668560

IUPAC1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane
SMILESC/C=C(\OCCCCC)C1CCC(CCC)CC1
InChIInChI=1S/C17H32O/c1-4-7-8-14-18-17(6-3)16-12-10-15(9-5-2)11-13-16/h6,15-16H,4-5,7-14H2,1-3H3/b17-6-
InChIKeyARDFIENWRPOQAT-FMQZQXMHSA-N
MW252.44 g/mol
LogP5.70
Rot. Bonds8

About 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane

1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane (PubChem CID 140668560) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane.

Molecular Properties

Compound Name1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane
PubChem CID140668560
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane
SMILESC/C=C(\OCCCCC)C1CCC(CCC)CC1
InChIInChI=1S/C17H32O/c1-4-7-8-14-18-17(6-3)16-12-10-15(9-5-2)11-13-16/h6,15-16H,4-5,7-14H2,1-3H3/b17-6-
InChIKeyARDFIENWRPOQAT-FMQZQXMHSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dipropylcyclohexane;pentane
CID 90867354
1-ethyl-4-(1-pentoxyethenyl)cyclohexane
CID 140668571
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
CID 173321261
4-formyloxybutyl 4-butylcyclohexane-1-carboxylate
CID 90194300
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
(E)-4-oxo-4-[4-(4-propylcyclohexyl)butoxy]but-2-enoic acid
CID 172565478
4-buta-1,3-dien-2-yloxybutyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 88949927
pentadecyl cyclopropanecarboxylate
CID 560133
1-(4-pentylcyclohexyl)ethanone
CID 13278013
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
butyl 4-(2-fluoroethyl)cyclohexane-1-carboxylate
CID 70829178

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane?
The IUPAC name of 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane (CID 140668560) is 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane.
What is the SMILES notation for 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane?
The canonical SMILES for 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane is C/C=C(\OCCCCC)C1CCC(CCC)CC1.
What is the InChIKey of 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane?
The InChIKey is ARDFIENWRPOQAT-FMQZQXMHSA-N. The full InChI is InChI=1S/C17H32O/c1-4-7-8-14-18-17(6-3)16-12-10-15(9-5-2)11-13-16/h6,15-16H,4-5,7-14H2,1-3H3/b17-6-.
What are the key properties of 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane?
1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-pentoxyprop-1-enyl]-4-propylcyclohexane is sourced from PubChem (CID 140668560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).