8-pent-4-ynylspiro[4.5]decan-8-ol

C15H24O — CID 114819580

IUPAC8-pent-4-ynylspiro[4.5]decan-8-ol
SMILESC#CCCCC1(O)CCC2(CCCC2)CC1
InChIInChI=1S/C15H24O/c1-2-3-4-9-15(16)12-10-14(11-13-15)7-5-6-8-14/h1,16H,3-13H2
InChIKeyITXNTUOUQCSMGD-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.66
Rot. Bonds3

About 8-pent-4-ynylspiro[4.5]decan-8-ol

8-pent-4-ynylspiro[4.5]decan-8-ol (PubChem CID 114819580) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 8-pent-4-ynylspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-pent-4-ynylspiro[4.5]decan-8-ol
PubChem CID114819580
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name8-pent-4-ynylspiro[4.5]decan-8-ol
SMILESC#CCCCC1(O)CCC2(CCCC2)CC1
InChIInChI=1S/C15H24O/c1-2-3-4-9-15(16)12-10-14(11-13-15)7-5-6-8-14/h1,16H,3-13H2
InChIKeyITXNTUOUQCSMGD-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-octylspiro[4.5]decan-8-ol
CID 114819460
8-propylspiro[4.5]decan-8-ol
CID 114819227
1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
CID 916078
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
1-pent-4-ynylcyclobutane-1-carbaldehyde
CID 131231194
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
4-but-3-ynylpiperidin-4-ol
CID 63656510
1-[3-(dimethylamino)propyl]cyclopentan-1-ol
CID 115073760
1-prop-2-ynylcyclododecan-1-ol
CID 134093446
CID 159549662
CID 159549662
4-but-3-ynyloxepan-4-ol
CID 65078866

Frequently Asked Questions

What is the IUPAC name of 8-pent-4-ynylspiro[4.5]decan-8-ol?
The IUPAC name of 8-pent-4-ynylspiro[4.5]decan-8-ol (CID 114819580) is 8-pent-4-ynylspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-pent-4-ynylspiro[4.5]decan-8-ol?
The canonical SMILES for 8-pent-4-ynylspiro[4.5]decan-8-ol is C#CCCCC1(O)CCC2(CCCC2)CC1.
What is the InChIKey of 8-pent-4-ynylspiro[4.5]decan-8-ol?
The InChIKey is ITXNTUOUQCSMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-9-15(16)12-10-14(11-13-15)7-5-6-8-14/h1,16H,3-13H2.
What are the key properties of 8-pent-4-ynylspiro[4.5]decan-8-ol?
8-pent-4-ynylspiro[4.5]decan-8-ol has a molecular weight of 220.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pent-4-ynylspiro[4.5]decan-8-ol is sourced from PubChem (CID 114819580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).