1-buta-1,3-dien-2-ylcyclopentan-1-ol

C9H14O — CID 549059

IUPAC1-buta-1,3-dien-2-ylcyclopentan-1-ol
SMILESC=CC(=C)C1(O)CCCC1
InChIInChI=1S/C9H14O/c1-3-8(2)9(10)6-4-5-7-9/h3,10H,1-2,4-7H2
InChIKeyGRWNATDKHJYDTF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds2

About 1-buta-1,3-dien-2-ylcyclopentan-1-ol

1-buta-1,3-dien-2-ylcyclopentan-1-ol (PubChem CID 549059) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name1-buta-1,3-dien-2-ylcyclopentan-1-ol
PubChem CID549059
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-buta-1,3-dien-2-ylcyclopentan-1-ol
SMILESC=CC(=C)C1(O)CCCC1
InChIInChI=1S/C9H14O/c1-3-8(2)9(10)6-4-5-7-9/h3,10H,1-2,4-7H2
InChIKeyGRWNATDKHJYDTF-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxycycloheptyl)pent-4-en-1-one
CID 103450362
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]prop-2-en-1-one
CID 59017569
cyclononane-1,1-diol
CID 23151649
cyclopentadecane-1,1-diol
CID 90867480
bis(1-hydroxycyclopentyl)methanone
CID 57474499
1-(1-hydroxycycloheptyl)hex-5-en-1-one
CID 103450126
tris([1-(hydroxymethyl)cyclodecyl]methanol);prop-2-enoic acid
CID 66920512
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-prop-2-enylcyclodecan-1-ol
CID 102287484
1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol
CID 163740661
N-(1-hydroxycyclohexyl)prop-2-enamide
CID 18433901

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-ylcyclopentan-1-ol?
The IUPAC name of 1-buta-1,3-dien-2-ylcyclopentan-1-ol (CID 549059) is 1-buta-1,3-dien-2-ylcyclopentan-1-ol.
What is the SMILES notation for 1-buta-1,3-dien-2-ylcyclopentan-1-ol?
The canonical SMILES for 1-buta-1,3-dien-2-ylcyclopentan-1-ol is C=CC(=C)C1(O)CCCC1.
What is the InChIKey of 1-buta-1,3-dien-2-ylcyclopentan-1-ol?
The InChIKey is GRWNATDKHJYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8(2)9(10)6-4-5-7-9/h3,10H,1-2,4-7H2.
What are the key properties of 1-buta-1,3-dien-2-ylcyclopentan-1-ol?
1-buta-1,3-dien-2-ylcyclopentan-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-ylcyclopentan-1-ol is sourced from PubChem (CID 549059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).