ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol

C11H22O — CID 143807003

IUPACethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol
SMILESC/C=C/C1(CO)CCCC1.CC
InChIInChI=1S/C9H16O.C2H6/c1-2-5-9(8-10)6-3-4-7-9;1-2/h2,5,10H,3-4,6-8H2,1H3;1-2H3/b5-2+;
InChIKeyMODRWGKJZHUETR-DPZBITMOSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds2

About ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol

ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol (PubChem CID 143807003) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol.

Molecular Properties

Compound Nameethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol
PubChem CID143807003
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol
SMILESC/C=C/C1(CO)CCCC1.CC
InChIInChI=1S/C9H16O.C2H6/c1-2-5-9(8-10)6-3-4-7-9;1-2/h2,5,10H,3-4,6-8H2,1H3;1-2H3/b5-2+;
InChIKeyMODRWGKJZHUETR-DPZBITMOSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-prop-1-enyl]cycloundecan-1-ol
CID 134894684
1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane
CID 142208127
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
(1-aminocyclopentyl)methanol
CID 157241161
(E)-4-[1-[(Z)-2-methylidenepent-3-enyl]cyclohexyl]but-3-en-2-one
CID 15947946
(1-aminocyclodecyl)methanol
CID 66910735
(1-methylcyclododecyl)methanol
CID 70130772
[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
CID 107899292
1-(hydroxymethyl)cyclohexane-1-carbaldehyde;1-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde
CID 23105281
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
1-but-2-enylcycloheptane-1-carboxylic acid
CID 79429503
1-but-2-enylcyclohexane-1-carboxylic acid
CID 112734325

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol?
The IUPAC name of ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol (CID 143807003) is ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol.
What is the SMILES notation for ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol?
The canonical SMILES for ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol is C/C=C/C1(CO)CCCC1.CC.
What is the InChIKey of ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol?
The InChIKey is MODRWGKJZHUETR-DPZBITMOSA-N. The full InChI is InChI=1S/C9H16O.C2H6/c1-2-5-9(8-10)6-3-4-7-9;1-2/h2,5,10H,3-4,6-8H2,1H3;1-2H3/b5-2+;.
What are the key properties of ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol?
ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[(E)-prop-1-enyl]cyclopentyl]methanol is sourced from PubChem (CID 143807003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).