(1-prop-2-ynylcyclopentyl)methanol

C9H14O — CID 56833399

IUPAC(1-prop-2-ynylcyclopentyl)methanol
SMILESC#CCC1(CO)CCCC1
InChIInChI=1S/C9H14O/c1-2-5-9(8-10)6-3-4-7-9/h1,10H,3-8H2
InChIKeyMWQAILUUSKBBBA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.56
Rot. Bonds2

About (1-prop-2-ynylcyclopentyl)methanol

(1-prop-2-ynylcyclopentyl)methanol (PubChem CID 56833399) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1-prop-2-ynylcyclopentyl)methanol.

Molecular Properties

Compound Name(1-prop-2-ynylcyclopentyl)methanol
PubChem CID56833399
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1-prop-2-ynylcyclopentyl)methanol
SMILESC#CCC1(CO)CCCC1
InChIInChI=1S/C9H14O/c1-2-5-9(8-10)6-3-4-7-9/h1,10H,3-8H2
InChIKeyMWQAILUUSKBBBA-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-prop-2-ynylcyclopentyl)methanol?
The IUPAC name of (1-prop-2-ynylcyclopentyl)methanol (CID 56833399) is (1-prop-2-ynylcyclopentyl)methanol.
What is the SMILES notation for (1-prop-2-ynylcyclopentyl)methanol?
The canonical SMILES for (1-prop-2-ynylcyclopentyl)methanol is C#CCC1(CO)CCCC1.
What is the InChIKey of (1-prop-2-ynylcyclopentyl)methanol?
The InChIKey is MWQAILUUSKBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-5-9(8-10)6-3-4-7-9/h1,10H,3-8H2.
What are the key properties of (1-prop-2-ynylcyclopentyl)methanol?
(1-prop-2-ynylcyclopentyl)methanol has a molecular weight of 138.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-ynylcyclopentyl)methanol is sourced from PubChem (CID 56833399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).